[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C17H14Cl2FNO3 — CID 2503532

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C17H14Cl2FNO3/c18-13-4-3-12(15(19)8-13)7-17(23)24-10-16(22)21-9-11-1-5-14(20)6-2-11/h1-6,8H,7,9-10H2,(H,21,22)
InChIKeyVXEQKFXMKFJURP-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.53
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2503532) has the molecular formula C17H14Cl2FNO3 and a molecular weight of 370.21 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2503532
Molecular FormulaC17H14Cl2FNO3
Molecular Weight370.21 g/mol
Exact Mass369.03
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C17H14Cl2FNO3/c18-13-4-3-12(15(19)8-13)7-17(23)24-10-16(22)21-9-11-1-5-14(20)6-2-11/h1-6,8H,7,9-10H2,(H,21,22)
InChIKeyVXEQKFXMKFJURP-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717266
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2394155
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 2428350
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2514531
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2547991
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-phenylbutanoate
CID 4876593
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356232
(2-Oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
CID 2358398
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2365140
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2387587
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2389868

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 2503532) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is VXEQKFXMKFJURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO3/c18-13-4-3-12(15(19)8-13)7-17(23)24-10-16(22)21-9-11-1-5-14(20)6-2-11/h1-6,8H,7,9-10H2,(H,21,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 370.21 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2503532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).